N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide

C22H29NO5S — CID 39636565

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1
InChIInChI=1S/C22H29NO5S/c1-15(2)28-21-11-9-20(12-16(21)3)29(24,25)23(18-6-7-18)14-17-13-19(26-4)8-10-22(17)27-5/h8-13,15,18H,6-7,14H2,1-5H3
InChIKeyIULHBSOCXYCRTG-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.15
Rot. Bonds9

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 39636565) has the molecular formula C22H29NO5S and a molecular weight of 419.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID39636565
Molecular FormulaC22H29NO5S
Molecular Weight419.54 g/mol
Exact Mass419.18
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1
InChIInChI=1S/C22H29NO5S/c1-15(2)28-21-11-9-20(12-16(21)3)29(24,25)23(18-6-7-18)14-17-13-19(26-4)8-10-22(17)27-5/h8-13,15,18H,6-7,14H2,1-5H3
InChIKeyIULHBSOCXYCRTG-UHFFFAOYSA-N
XLogP4.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 35404500
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3,4-diethoxybenzenesulfonamide
CID 35404554
N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 66185704
N-cyclopropyl-4-methoxy-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 55682011
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39631584
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 39636565) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide is COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is IULHBSOCXYCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5S/c1-15(2)28-21-11-9-20(12-16(21)3)29(24,25)23(18-6-7-18)14-17-13-19(26-4)8-10-22(17)27-5/h8-13,15,18H,6-7,14H2,1-5H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 419.54 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 39636565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).